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A New Graph-Based Molecular Descriptor Using the Canonical Representation of the Molecule
Molecular similarity is a pervasive concept in drug design. The basic idea underlying molecular similarity is the similar property principle, which states that structurally similar molecules will exhibit similar physicochemical and biological properties. In this paper, a new graph-based molecular de...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Hindawi Publishing Corporation
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4130360/ https://www.ncbi.nlm.nih.gov/pubmed/25140330 http://dx.doi.org/10.1155/2014/286974 |